4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

C34H34ClFN8O2 — CID 158008545

About 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (PubChem CID 158008545) has the molecular formula C34H34ClFN8O2 and a molecular weight of 641.15 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.

Molecular Properties

• Compound Name: 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
• PubChem CID: 158008545
• Molecular Formula: C34H34ClFN8O2
• Molecular Weight: 641.15 g/mol
• Exact Mass: 640.25
• IUPAC Name: 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
• SMILES: CC1CN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CCO1.Cc1ccc(-n2nc(N3CCOCC3)c3ccncc32)c(F)c1
• InChI: InChI=1S/C17H17ClN4O.C17H17FN4O/c1-12-11-21(8-9-23-12)17-15-6-7-19-10-16(15)22(20-17)14-4-2-13(18)3-5-14;1-12-2-3-15(14(18)10-12)22-16-11-19-5-4-13(16)17(20-22)21-6-8-23-9-7-21/h2-7,10,12H,8-9,11H2,1H3;2-5,10-11H,6-9H2,1H3
• InChIKey: FEPHGDNUFCAPJA-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 86.36 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.15
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?

The IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (CID 158008545) is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.

What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?

The canonical SMILES for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is CC1CN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CCO1.Cc1ccc(-n2nc(N3CCOCC3)c3ccncc32)c(F)c1.

What is the InChIKey of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?

The InChIKey is FEPHGDNUFCAPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O.C17H17FN4O/c1-12-11-21(8-9-23-12)17-15-6-7-19-10-16(15)22(20-17)14-4-2-13(18)3-5-14;1-12-2-3-15(14(18)10-12)22-16-11-19-5-4-13(16)17(20-22)21-6-8-23-9-7-21/h2-7,10,12H,8-9,11H2,1H3;2-5,10-11H,6-9H2,1H3.

What are the key properties of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?

4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine has a molecular weight of 641.15 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is sourced from PubChem (CID 158008545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).